(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

C28H37N5O4 — CID 166040656

About (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 166040656) has the molecular formula C28H37N5O4 and a molecular weight of 507.64 g/mol. Its IUPAC name is (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
• PubChem CID: 166040656
• Molecular Formula: C28H37N5O4
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.28
• IUPAC Name: (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)c1ccc(N(C(=O)[C@H]2CCCN2)C(C(=O)NCC(=O)N2CCOCC2)c2cccnc2)cc1
• InChI: InChI=1S/C28H37N5O4/c1-28(2,3)21-8-10-22(11-9-21)33(27(36)23-7-5-13-30-23)25(20-6-4-12-29-18-20)26(35)31-19-24(34)32-14-16-37-17-15-32/h4,6,8-12,18,23,25,30H,5,7,13-17,19H2,1-3H3,(H,31,35)/t23-,25?/m1/s1
• InChIKey: WQZUKDHKCOPGKA-XQZUBTRRSA-N
• XLogP: 2.18
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (CID 166040656) is (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)[C@H]2CCCN2)C(C(=O)NCC(=O)N2CCOCC2)c2cccnc2)cc1.

What is the InChIKey of (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?

The InChIKey is WQZUKDHKCOPGKA-XQZUBTRRSA-N. The full InChI is InChI=1S/C28H37N5O4/c1-28(2,3)21-8-10-22(11-9-21)33(27(36)23-7-5-13-30-23)25(20-6-4-12-29-18-20)26(35)31-19-24(34)32-14-16-37-17-15-32/h4,6,8-12,18,23,25,30H,5,7,13-17,19H2,1-3H3,(H,31,35)/t23-,25?/m1/s1.

What are the key properties of (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?

(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166040656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).